3-Methyl-3-phenylbutanoic acid
CAS Registry Number®
1010-48-6
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CAS Name
3-Methyl-3-phenylbutanoic acidMolecular Formula
C11H14O2Molecular Mass
178.23Cite this Page
3-Methyl-3-phenylbutanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1010-48-6 (retrieved ) (CAS RN: 1010-48-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
165-166 °C @ Press: 20 TorrMelting Point (2)
60 °C
Source(s)
- (1) Bergmann, Ernst; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen, (1931), 64B, 1493-501, CAplus
- (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C11H14O2/c1-11(2,8-10(12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13)
InChIKey
InChIKey=JTZZMXVIHNHASS-UHFFFAOYSA-N
SMILES
C(CC(O)=O)(C)(C)C1=CC=CC=C1
Canonical SMILES
O=C(O)CC(C=1C=CC=CC1)(C)C
Other Names for this Substance
- Benzenepropanoic acid, β,β-dimethyl-
- Hydrocinnamic acid, β,β-dimethyl-
- β,β-Dimethylbenzenepropanoic acid
- β-Phenylisovaleric acid
- 3-Phenylisopentanoic acid
